2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazinyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(3S)-3-methyl-4-(m-tolyl)piperazino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)CC(=O)C3=C(N(C(=C3)C)C)C

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)CC(=O)C3=C(N(C(=C3)C)C)C

InChI

InChI=1S/C21H29N3O/c1-15-7-6-8-19(11-15)24-10-9-23(13-17(24)3)14-21(25)20-12-16(2)22(5)18(20)4/h6-8,11-12,17H,9-10,13-14H2,1-5H3/t17-/m0/s1